Geometry & MOs

Info

ID:	154605
PubChem CID:	56314076
Reduced:	BrO3N4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	462.03275
ΔH_f, kcal/mol:	-22.02
Dipole, Da:	3.92
IP(EA), eV:	-9.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations